Moleculomics provide high performance computing Biosimulation tools, data resources and platforms focussed on system-wide prediction of molecular interactions for the purpose of whole proteome / diverse chemistry in silico lead discovery and pathway analysis, evaluating whole system compound efficacy and toxicity.
The information is of high value to scientific and commercial decisions involved in the development and appropriation of new and existing compounds, by providing the ability to identify and prioritise efficacious leads whilst simultaneously identifying toxic or adverse reactions early in the R&D cycle.
High throughput affinity screening and docking of specified compounds against any of 47 tissue specific panels of proteins to provide molecular and structural information to evaluate compound efficacy and toxicity
Re-Drug is a comprehensive Artificial Intelligence-based screening technology for the assessment of both on-target (efficacy) and off-target (potential toxicity) of a candidate therapeutic drawn from the pool of around 1400 FDA approved drugs, screened for repositioning opportunities across more than 1400 known drug targets. This whole system framework provides an assessment of the candidate drug’s predicted behaviour based upon comparison with the established mechanistic data for a broad range of currently used drugs, encompassing both drug efficacy and potential toxicity.
Human3DProteome is a breakthrough technology for rapid discovery of better and safer drug compounds – a comprehensive in silico platform of the entire human proteome (all the receptors, enzymes etc., encoded by the human genome), providing a unique molecular level structural database including detailed characterisation of active sites and millions of protein-compound interactions